Prana, V.; Fayet, G.; Rotureau, P.; Adamo, C. Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds. J. Hazard. Mater. 2012, 235-236, 169–177.
Compound
| ID: | mol14 | |
|---|---|---|
| Name: | Bis-(trinitroethyl)-oxalate | |
| Description: | ||
| Labels: | ||
| CAS: | 118583-85-0 | |
| InChi Code: | InChI=1S/C6H4N6O16/c13-3(27-1-5(7(15)16,8(17)18)9(19)20)4(14)28-2-6(10(21)22,11(23)24)12(25)26/h1-2H2 |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 15 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.18 |
experimental value |
| 1.16 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |